methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium Openeye Name: methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-[(2-morpholinophenyl)methyl]ammonium CAS Name: methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]-[[2-(4-morpholinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[(2-morpholin-4-ylphenyl)methyl]azanium Traditional Name: [2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-(2-morpholinobenzyl)ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H27N3O2S/c1-23(16-21(25)22-18-8-4-6-10-20(18)27-2)15-17-7-3-5-9-19(17)24-11-13-26-14-12-24/h3-10H,11-16H2,1-2H3,(H,22,25)/p+1